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[ CAS No. 3017-70-7 ]

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 3017-70-7
Chemical Structure| 3017-70-7
Structure of 3017-70-7 * Storage: {[proInfo.prStorage]}
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Alternatived Products of [ 3017-70-7 ]

Product Details of [ 3017-70-7 ]

CAS No. :3017-70-7 MDL No. :MFCD00191852
Formula : C5H9Br Boiling Point : -
Linear Structure Formula :- InChI Key :DBELOSOZLGEZBM-UHFFFAOYSA-N
M.W :149.03 Pubchem ID :520467
Synonyms :

Calculated chemistry of [ 3017-70-7 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 33.55
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.23
Log Po/w (XLOGP3) : 2.77
Log Po/w (WLOGP) : 2.7
Log Po/w (MLOGP) : 2.64
Log Po/w (SILICOS-IT) : 1.52
Consensus Log Po/w : 2.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.51
Solubility : 0.462 mg/ml ; 0.0031 mol/l
Class : Soluble
Log S (Ali) : -2.43
Solubility : 0.559 mg/ml ; 0.00375 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.96
Solubility : 1.62 mg/ml ; 0.0109 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.26

Safety of [ 3017-70-7 ]

Signal Word:Danger Class:3,6.1
Precautionary Statements:P210-P233-P240-P241-P242-P243-P264-P270-P280-P301+P310-P303+P361+P353-P321-P330-P370+P378-P403+P235-P405-P501 UN#:1992
Hazard Statements:H225-H301 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3017-70-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 3017-70-7 ]

[ 3017-70-7 ] Synthesis Path-Downstream   1~68

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  • phenylmagnesium bromide [ No CAS ]
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  • 2,3-dimethyl-hepta-2,5<i>t</i>-dien-4-ol [ No CAS ]
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  • 2-bromo-3-methyl-2-nitroso-3-nitryloxy-butane [ No CAS ]
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  • 2,3-dimethyl-1,1-diphenyl-but-2-en-1-ol [ No CAS ]
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  • 2,3,6-trimethyl-hepta-2,5-dien-4-ol [ No CAS ]
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  • [ 684-94-6 ]
  • 2,3,4,5,6-pentamethyl-hepta-2,5-dien-4-ol [ No CAS ]
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  • 3,6-bis(isopropylidene)-1,2-dithiacyclohexane [ No CAS ]
  • 55
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  • [ 928-49-4 ]
  • [ 201230-82-2 ]
  • 2,3-diethyl-5-dimethylmethylene-cyclopenten-2-one [ No CAS ]
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  • [ 928-49-4 ]
  • 5-ethyl-2-methyl-2,5(E)-octadiene [ No CAS ]
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  • 2,3-diethyl-5-dimethylmethylene-thiocyclopentene-2 [ No CAS ]
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  • [ 536-74-3 ]
  • [ 17697-66-4 ]
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  • [ 536-74-3 ]
  • 5-methyl-2-phenyl-1,4-hexadiene [ No CAS ]
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  • [ 201230-82-2 ]
  • [ 501-65-5 ]
  • C40H38O2 [ No CAS ]
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  • 5-methyl-1,2-diphenyl-1(Z),4-hexadiene [ No CAS ]
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  • 2,3-diphenyl-4-(dimethylmethylene)thiocyclopentene-2 [ No CAS ]
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  • C5H6ClOZn(1-)*Cl(1-)*Zn(2+) [ No CAS ]
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  • quicklime [ No CAS ]
  • [ 598-25-4 ]
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